SCHEMBL11325657

SCHEMBL11325657

C=CCOCCCCCOC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 6/20 0.45
CYP3A4 P08684 3/20 0.45
LMNA P02545 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.37
CES2 O00748 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
CHRM5 P08912 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12310193 1.00 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL10081659 0.98 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL7760169 0.94 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL34470452 0.91 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL32682135 0.91 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL32682136 0.91 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
Ethylene Glycol SCHEMBL18940268 0.87 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4LMNAAPOBEC3A
SCHEMBL141388 0.86 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2
SCHEMBL562668 0.84 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2
SCHEMBL31756060 0.84 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281093-A Catalyst compositions and their use in the preparation of release coatings IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-07-28 US disclosed
EP-0015346-A1 Catalyst compositions and their use in the preparation of release coatings IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-09-17 EP disclosed